SEQ2FUN

BioLiP

PDB CCD ID: K1D
Number of entries in BioLiP: 7
Chemical formula: C8 H9 N5
InChI: InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12)
InChIKey: ACPXQMYLXLKGKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1[nH]c2c(n1)c(ncn2)N3CCC3
ACDLabs 12.01n2cnc1ncnc1c2N3CCC3
CACTVS 3.385C1CN(C1)c2ncnc3[nH]cnc23
Name:6-(azetidin-1-yl)-9H-purine
ZINC: ZINC000197371642
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).